SCHEMBL4033138

SCHEMBL4033138

C=CC(=O)Nc1ccc(OCCN(C(C)C)C(C)C)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.65
MCHR1 Q99705 18/20 0.63
HTR2C P28335 1/20 0.63
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28450293 0.83 EGFR (0.58) MCHR1
SCHEMBL14260335 0.83 MAPT (0.59)
SCHEMBL5043916 0.80 TGM2 (0.63)
SCHEMBL5132224 0.79 MCHR1 (0.59) SLC2A1MCHR1HTR2C
SCHEMBL7613674 0.79 SLC2A1 (0.81) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7613669 0.79 SLC2A1 (0.81) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL28455574 0.78 EGFR (0.58)
SCHEMBL7606654 0.78 SLC2A1 (0.68) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7606657 0.78 SLC2A1 (0.68) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL28463718 0.78 EGFR (0.63)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648448-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP disclosed
US-20080058515-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-03-06 US disclosed
EP-1648448-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-26 EP disclosed
WO-2005011681-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080058515-A1 Chemical Compounds SGK1, SGK2, SGK3 SLC2A1 2490/4885MCHR1 4225/4885HTR2C 4602/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.